N-[(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide

C15H20N6O3S — CID 136581166

IUPACN-[(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
SMILESCn1cc([C@@H]2NC(=O)CC[C@H]2NS(=O)(=O)c2cnc3n2CCC3)cn1
InChIInChI=1S/C15H20N6O3S/c1-20-9-10(7-17-20)15-11(4-5-13(22)18-15)19-25(23,24)14-8-16-12-3-2-6-21(12)14/h7-9,11,15,19H,2-6H2,1H3,(H,18,22)/t11-,15+/m1/s1
InChIKeyQYFDKGVMUHRMDS-ABAIWWIYSA-N
MW364.43 g/mol
LogP-0.14
Rot. Bonds4

About N-[(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide

N-[(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide (PubChem CID 136581166) has the molecular formula C15H20N6O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide.

Molecular Properties

Compound NameN-[(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
PubChem CID136581166
Molecular FormulaC15H20N6O3S
Molecular Weight364.43 g/mol
Exact Mass364.13
IUPAC NameN-[(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
SMILESCn1cc([C@@H]2NC(=O)CC[C@H]2NS(=O)(=O)c2cnc3n2CCC3)cn1
InChIInChI=1S/C15H20N6O3S/c1-20-9-10(7-17-20)15-11(4-5-13(22)18-15)19-25(23,24)14-8-16-12-3-2-6-21(12)14/h7-9,11,15,19H,2-6H2,1H3,(H,18,22)/t11-,15+/m1/s1
InChIKeyQYFDKGVMUHRMDS-ABAIWWIYSA-N
XLogP-0.14
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
The IUPAC name of N-[(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide (CID 136581166) is N-[(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide.
What is the SMILES notation for N-[(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
The canonical SMILES for N-[(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide is Cn1cc([C@@H]2NC(=O)CC[C@H]2NS(=O)(=O)c2cnc3n2CCC3)cn1.
What is the InChIKey of N-[(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
The InChIKey is QYFDKGVMUHRMDS-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H20N6O3S/c1-20-9-10(7-17-20)15-11(4-5-13(22)18-15)19-25(23,24)14-8-16-12-3-2-6-21(12)14/h7-9,11,15,19H,2-6H2,1H3,(H,18,22)/t11-,15+/m1/s1.
What are the key properties of N-[(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
N-[(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide has a molecular weight of 364.43 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide is sourced from PubChem (CID 136581166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).